1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine

C13H22N6 — CID 105161757

IUPAC1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1CC)c1cc(C)nn1C
InChIInChI=1S/C13H22N6/c1-5-14-11(12-7-10(3)17-18(12)4)8-13-15-9-16-19(13)6-2/h7,9,11,14H,5-6,8H2,1-4H3
InChIKeyFKVDDTAUQHEFDO-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.23
Rot. Bonds6

About 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine

1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 105161757) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID105161757
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1CC)c1cc(C)nn1C
InChIInChI=1S/C13H22N6/c1-5-14-11(12-7-10(3)17-18(12)4)8-13-15-9-16-19(13)6-2/h7,9,11,14H,5-6,8H2,1-4H3
InChIKeyFKVDDTAUQHEFDO-UHFFFAOYSA-N
XLogP1.23
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,5-dimethylpyrazol-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 105161876
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002266
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 105160496
2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 105136476
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105177590
N-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 82902334
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 79780328
N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 105160734
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109691
1-(2,5-dimethylpyrazol-3-yl)-N-ethylpent-3-yn-1-amine
CID 105112063
1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine
CID 105125896
2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 106866129

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine (CID 105161757) is 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine is CCNC(Cc1ncnn1CC)c1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is FKVDDTAUQHEFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-5-14-11(12-7-10(3)17-18(12)4)8-13-15-9-16-19(13)6-2/h7,9,11,14H,5-6,8H2,1-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine?
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 262.36 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 105161757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).